2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide

C14H17N3O2 — CID 113158090

IUPAC2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(C#N)c1)C(C)=O
InChIInChI=1S/C14H17N3O2/c1-3-7-17(11(2)18)10-14(19)16-13-6-4-5-12(8-13)9-15/h4-6,8H,3,7,10H2,1-2H3,(H,16,19)
InChIKeyJOAPIBADJLGETO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.76
Rot. Bonds5

About 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide

2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide (PubChem CID 113158090) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
PubChem CID113158090
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(C#N)c1)C(C)=O
InChIInChI=1S/C14H17N3O2/c1-3-7-17(11(2)18)10-14(19)16-13-6-4-5-12(8-13)9-15/h4-6,8H,3,7,10H2,1-2H3,(H,16,19)
InChIKeyJOAPIBADJLGETO-UHFFFAOYSA-N
XLogP1.76
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063
N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038792
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163539
2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814069
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163737
ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate
CID 61008516
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide
CID 113118535
1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056658

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide (CID 113158090) is 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide is CCCN(CC(=O)Nc1cccc(C#N)c1)C(C)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide?
The InChIKey is JOAPIBADJLGETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-7-17(11(2)18)10-14(19)16-13-6-4-5-12(8-13)9-15/h4-6,8H,3,7,10H2,1-2H3,(H,16,19).
What are the key properties of 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide?
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113158090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).